Information card for entry 4129367

Structure parameters

• Formula: C50 H68 B2 Li O5
• Calculated formula: C50 H68 B2 Li O5
• Title of publication: A preorganized ditopic borane as highly efficient one- or two-electron trap.
• Authors of publication: Hübner, Alexander; Kaese, Thomas; Diefenbach, Martin; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Holthausen, Max C.; Wagner, Matthias
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 10
• Pages of publication: 3705 - 3714
• a: 10.8223 ± 0.0006 Å
• b: 24.5017 ± 0.0011 Å
• c: 17.7344 ± 0.0009 Å
• α: 90°
• β: 104.485 ± 0.004°
• γ: 90°
• Cell volume: 4553.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0988
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1992
• Weighted residual factors for all reflections included in the refinement: 0.2138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No